ethyl (4R)-4-(2-chlorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(2-chlorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(2-chlorophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2-chlorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(2-chlorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2-chlorophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=S)N1)C2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C16H19ClN2O2S/c1-3-7-12-13(15(20)21-4-2)14(19-16(22)18-12)10-8-5-6-9-11(10)17/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,18,19,22)/t14-/m0/s1